UCSF

ZINC59065821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 12 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.34 0.68 -60.33 3 5 -1 108 194.147 4
Hi High (pH 8-9.5) -3.34 0.41 -101.75 2 5 -2 106 193.139 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )